SCHEMBL4434908

SCHEMBL4434908

O=S(=O)(c1ccccc1CO)c1ccccc1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.56
CA12 O43570 1/20 0.46
MMP2 P08253 7/20 0.44
MMP12 P39900 7/20 0.44
MMP13 P45452 7/20 0.44
MMP14 P50281 7/20 0.44
MMP9 P14780 6/20 0.44
MMP8 P22894 6/20 0.44
MMP16 P51512 6/20 0.44
MMP1 P03956 5/20 0.44
MMP3 P08254 5/20 0.44
GAA P10253 1/20 0.44
APOBEC3G Q9HC16 1/20 0.43
HSD11B1 P28845 1/20 0.40
HTR6 P50406 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAM17 P78536 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24784076 0.88 CYP2D6 (0.48) CYP2D6CA12MMP2MMP12MMP13
SCHEMBL710752 0.87 CYP2D6 (0.62) CYP2D6MMP2MMP12MMP13MMP14
SCHEMBL24018769 0.85 CYP2D6 (0.46) CYP2D6CA12MMP2MMP12MMP13
SCHEMBL332353 0.84 CYP2D6 (0.50) CYP2D6CA12MMP2MMP12MMP13
SCHEMBL3263174 0.84 POLB (0.52) CYP2D6CA12HSD11B1
SCHEMBL24498677 0.84 HSD11B1 (0.47) CYP2D6CA12MMP2MMP12MMP13
SCHEMBL22957774 0.82 CYP2D6 (0.43) CYP2D6CA12MMP2MMP12MMP13
Ammonia Solution, Strong SCHEMBL4058946 0.82 CYP2D6 (0.49) CYP2D6CA12MMP2MMP12MMP13
SCHEMBL1804258 0.82 CA2 (0.50) CYP2D6CA12
SCHEMBL20854268 0.82 CYP2D6 (0.49) CYP2D6CA12MMP2MMP12MMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
EP-1589374-A2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition Fuji Photo Film Co., Ltd. (JP) 2005-10-26 EP disclosed
US-20050202341-A1 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJI PHOTO FILM CO., LTD. 2005-09-15 US disclosed
US-5288781-A Blended with polyether, sulfonate and sulfone components; antistatic, clarity, heat resistance, mechanical properties SKC LIMITED (KR) 1994-02-22 US disclosed
US-4057418-A Sulfonylmethylamino-substituted benzoic acids and herbicidal method therewith BAYER AKTIENGESELLSCHAFT (DT) 1977-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 CYP2D6 70/4885CA12 967/4885MMP2 3525/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.